CAS: 95798-22-4; Benzyl 3-Hydroxypiperidine-1-Carboxylate

• 英文名称Benzyl 3-Hydroxypiperidine-1-Carboxylate
• 中文名称N-苄氧羰基-3-羟基哌啶
• IUPAC名称benzyl 3-hydroxypiperidine-1-carboxylate
• 其它别名N-Cbz-3-羟基哌啶; 1-Benzyloxycarbonyl-3-Hydroxypiperidine
• CAS编号95798-22-4
• MFCD编号:MFCD03839903
• EINECS号:675-861-4
• 分子式:C13H17NO3
• 分子量:235.28
• 产品CID: 2012354
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: NDGWBAFATMSBHZ-UHFFFAOYSA-N
• InChI=1S/C13H17NO3/c15-12-7-4-8-14(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2…
• 计算化学: 氢键受体数3.0氢键供体数1可旋转键数2

物理性质

• 沸点384.9°C at 760 mmHg
• 闪点186.6±27.9°C
• 密度1.2±0.1 g/cm3
• pKa:14.72±0.20(预测)
• PSA:49.77
• LogP:1.7799
• 折射率1.574
• 蒸汽压0.0±0.9 mmHg at 25°C
• 外观形态淡黄色至黄色液体
• 储存条件储存在 室温
• 产品应用该化合物用作药品中间体.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xi

欧盟法规

上下游产品

合成工艺路线路线简述

• 6859-99-0 = 95798-22-4
  反应条件:1.1 Solvents: Dichloromethane; Rt -> 0 °C1.2 Reagents: Triethylamine; 0 °C1.3 30 Min,0 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; 0 °C -> Rt
  标题:Exploration Of A New Type Of Antimalarial Compounds Based On Febrifugine
  作者:Kikuchi,Haruhisa; Yamamoto,Keisuke; Horoiwa,Seiko; Hirai,Shingo; Kasahara,Ryota; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2006 卷标:49(15) 页码:4698-4706]
  
  2087939-55-5 = 95798-22-4
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 1 H,10 - 15 °C; 2 H,15 °C; 15 °C -> 50 °C; 4 H,40 - 50 °C; 50 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; Overnight,Rt
  标题:Method For Preparing 3-Hydroxypiperidine And Derivative And Intermediate Thereof
  参考文献:China]
  
  6859-99-0 = 95798-22-4
  反应条件:1.1 Solvents: Water; 10 - 25 °C; Overnight,10 - 25 °C
  标题:Preparation Method Of Multi-Chiral Nitrogen Substituted Piperidinol Derivatives
  参考文献:China]
  
  61995-20-8 = 95798-22-4
  反应条件:1.1 Reagents: Sodium Borohydride
  标题:Stereo-Complementary Bioreduction Of Saturated N-Heterocyclic Ketones
  作者:Li,Chao; Liu,Yan; Pei,Xiao-Qiong; Wu,Zhong-Liu
  参考文献:Process Biochemistry (Oxford 日期:2017 卷标:56 页码:90-97]
  
  64051-79-2 = 95798-22-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; < 15 °C; 3 H,< 15 °C
  标题:Preparation Of Heterocyclyl-Substituted Piperazines For The Prevention Or Treatment Of A Disease Mediated By The Binding Of Adhesion Molecules To Gpiib/iiia
  参考文献:United States]
  
  = 95798-22-4 [标题:Reaction Conditions
  标题:Preparation Of Oxazolylalkyl Piperidinecarboxylates As Peroxisome Proliferator-Activated Receptor (Ppar) α/γ Agonists For The Treatment Of Diabetes
  参考文献:Japan]
  
  = 95798-22-4 [标题:Reaction Conditions
  标题:Preparation Of Arylalkylamines As Calcium-Sensing Receptor (Casr) Activators
  参考文献:World Intellectual Property Organization]
  
  = 95798-22-4 [标题:Reaction Conditions
  标题:Preparation Of Quinolizinone- And Pyridopyrimidinonecarboxylates As Antibacterials
  参考文献:World Intellectual Property Organization]
  
  = 95798-22-4 [标题:Reaction Conditions
  标题:Lipase-Catalyzed Practical Synthesis Of (R)-1-Benzyl-3-Hydroxy-2,5-Pyrrolidinedione And Related Compounds
  作者:Tomori,Hiroshi; Shibutani,Kuniko; Ogura,Katsuyuki
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1996 卷标:69(1) 页码:207-15]
  
  = 95798-22-4 [标题:Reaction Conditions
  标题:Preparation Of Quinolizinonecarboxylates And Analogs As Antibacterials
  参考文献:World Intellectual Property Organization]
  
  64051-79-2 = 95798-22-4
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Tetrahydrofuran,Water; Rt; 5 H,Rt
  标题:Preparation Of Phenyl Amino Pyrimidine Bicyclic Compounds Useful As Protein Kinase Inhibitors
  参考文献:World Intellectual Property Organization]
  
  64051-79-2 = 95798-22-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 2.5 H,0 °C; 30 Min,0 °C; 16 H,0 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 30 Min,Rt
  标题:Preparation Of Pyrazole Compounds As Btk (Bruton'S Tyrosine Kinase) Inhibitors
  参考文献:World Intellectual Property Organization]
  
  6859-99-0 = 95798-22-4
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: 1,4-Dioxane,Water; Rt -> 5 °C; 4 H,Rt
  标题:Synthesis And Antibacterial Activity Of Ketolides (6-O-Methyl-3-Oxoerythromycin Derivatives): A New Class Of Antibacterials Highly Potent Against Macrolide-Resistant And -Susceptible Respiratory Pathogens
  作者:Agouridas,Constantin; Denis,Alexis; Auger,Jean-Michel; Benedetti,Yannick; Bonnefoy,Alain; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1998 卷标:41(21) 页码:4080-4100]
  
  61995-20-8 = 95798-22-4
  反应条件:1.1 Reagents: Potassium Tert-Butoxide,Hydrogen Catalysts: (Oc-6-53)-[[n(R),1R]-7′-[bis[3,5-Bis(1,1-Dimethylethyl)Phenyl]Phosphino-Kp]-N-[[... Solvents: 1-Propanol; 8 - 12 Atm,Rt
  标题:Preparation Methods Of Chiral Spiro Phosphine-Nitrogen-Phosphine Tridentate Ligand And Iridium Catalyst,Application In Asymmetric Catalytic Hydrogenation Of Carbonyl Compound
  参考文献:World Intellectual Property Organization]
  
  6859-99-0 = 95798-22-4
  反应条件:1.1 Solvents: Water1.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:Novel Urethane-Containing Aminosteroid Compounds
  参考文献:World Intellectual Property Organization]
  
  = 95798-22-4 [标题:Reaction Conditions
  标题:A Convenient Synthesis Of Functionalized 8- And 9-Aza-1-Oxaspiro[5.5]Undecanes
  作者:Apostolopoulos,Costas D.; Haroutounian,Serkos A.
  参考文献:Journal Of Heterocyclic Chemistry 日期:1995 卷标:32(6) 页码:1843-5]
  
  = 95798-22-4 [标题:Reaction Conditions
  标题:Preparation Of Heterocyclic Compounds As Platelet Aggregation Inhibitors
  参考文献:World Intellectual Property Organization]
  
  = 95798-22-4 [标题:Reaction Conditions
  标题:Azaspiro Quinolone And Naphthyridone Antibacterial Agents
  参考文献:United States

海关参考信息

• 2902300000-甲苯
  2905122000-异丙醇
  2906210000-苄醇
  2912110000-甲醛
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